1,4-bis[1,3-bis(3-fluorocarbazol-9-yl)propan-2-yloxy]-3,6-bis(tert-butylamino)hexane-2,5-diol

C68H68F4N6O4 — CID 175032354

IUPAC1,4-bis[1,3-bis(3-fluorocarbazol-9-yl)propan-2-yloxy]-3,6-bis(tert-butylamino)hexane-2,5-diol
SMILESCC(C)(C)NCC(O)C(OC(Cn1c2ccccc2c2cc(F)ccc21)Cn1c2ccccc2c2cc(F)ccc21)C(NC(C)(C)C)C(O)COC(Cn1c2ccccc2c2cc(F)ccc21)Cn1c2ccccc2c2cc(F)ccc21
InChIInChI=1S/C68H68F4N6O4/c1-67(2,3)73-35-63(79)66(82-46(38-77-57-21-13-9-17-49(57)53-33-43(71)25-29-61(53)77)39-78-58-22-14-10-18-50(58)54-34-44(72)26-30-62(54)78)65(74-68(4,5)6)64(80)40-81-45(36-75-55-19-11-7-15-47(55)51-31-41(69)23-27-59(51)75)37-76-56-20-12-8-16-48(56)52-32-42(70)24-28-60(52)76/h7-34,45-46,63-66,73-74,79-80H,35-40H2,1-6H3
InChIKeyFUGFPGGZQKAYRA-UHFFFAOYSA-N
MW1109.32 g/mol
LogP13.78
Rot. Bonds19

About 1,4-bis[1,3-bis(3-fluorocarbazol-9-yl)propan-2-yloxy]-3,6-bis(tert-butylamino)hexane-2,5-diol

1,4-bis[1,3-bis(3-fluorocarbazol-9-yl)propan-2-yloxy]-3,6-bis(tert-butylamino)hexane-2,5-diol (PubChem CID 175032354) has the molecular formula C68H68F4N6O4 and a molecular weight of 1109.32 g/mol. Its IUPAC name is 1,4-bis[1,3-bis(3-fluorocarbazol-9-yl)propan-2-yloxy]-3,6-bis(tert-butylamino)hexane-2,5-diol.

Molecular Properties

Compound Name1,4-bis[1,3-bis(3-fluorocarbazol-9-yl)propan-2-yloxy]-3,6-bis(tert-butylamino)hexane-2,5-diol
PubChem CID175032354
Molecular FormulaC68H68F4N6O4
Molecular Weight1109.32 g/mol
Exact Mass1108.52
IUPAC Name1,4-bis[1,3-bis(3-fluorocarbazol-9-yl)propan-2-yloxy]-3,6-bis(tert-butylamino)hexane-2,5-diol
SMILESCC(C)(C)NCC(O)C(OC(Cn1c2ccccc2c2cc(F)ccc21)Cn1c2ccccc2c2cc(F)ccc21)C(NC(C)(C)C)C(O)COC(Cn1c2ccccc2c2cc(F)ccc21)Cn1c2ccccc2c2cc(F)ccc21
InChIInChI=1S/C68H68F4N6O4/c1-67(2,3)73-35-63(79)66(82-46(38-77-57-21-13-9-17-49(57)53-33-43(71)25-29-61(53)77)39-78-58-22-14-10-18-50(58)54-34-44(72)26-30-62(54)78)65(74-68(4,5)6)64(80)40-81-45(36-75-55-19-11-7-15-47(55)51-31-41(69)23-27-59(51)75)37-76-56-20-12-8-16-48(56)52-32-42(70)24-28-60(52)76/h7-34,45-46,63-66,73-74,79-80H,35-40H2,1-6H3
InChIKeyFUGFPGGZQKAYRA-UHFFFAOYSA-N
XLogP13.78
TPSA102.70 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds19
Heavy Atoms82
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001109.32
LogP ≤ 513.78
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Analyze 1,4-bis[1,3-bis(3-fluorocarbazol-9-yl)propan-2-yloxy]-3,6-bis(tert-butylamino)hexane-2,5-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[1,3-Di(carbazol-9-yl)propan-2-yloxy]-3-(propan-2-ylamino)propan-2-ol
CID 3713657
(2S)-1-[1,3-di(carbazol-9-yl)propan-2-yloxy]-3-(propan-2-ylamino)propan-2-ol
CID 9511208
(2R)-1-[1,3-di(carbazol-9-yl)propan-2-yloxy]-3-(propan-2-ylamino)propan-2-ol
CID 9511211
[(2S,3R,4R,5S,6S)-4,5-diacetyloxy-6-[6-fluoro-2-[6-fluoro-3-(pyrrolidin-2-ylmethyl)-1H-indol-2-yl]-3-[[(2S)-pyrrolidin-2-yl]methyl]indol-1-yl]-2-methyloxan-3-yl] acetate
CID 66813295
[(2S,3R,4R,5S,6S)-4,5-diacetyloxy-6-[6-fluoro-2-[6-fluoro-3-[[(2S)-pyrrolidin-2-yl]methyl]-1H-indol-2-yl]-3-[[(2S)-pyrrolidin-2-yl]methyl]indol-1-yl]-2-methyloxan-3-yl] acetate
CID 66822125
(1S,2R,3S,4S)-2,4-bis(3-fluorophenyl)-2,4-di(indol-1-yl)-1,3-bis[(2S)-pyrrolidin-2-yl]butane-1,3-diol
CID 90948848
1-[1,3-Bis(3,6-difluorocarbazol-9-yl)propan-2-yloxy]-3-(propan-2-ylamino)propan-2-ol
CID 150073476
1-[1,3-Bis(3-fluorocarbazol-9-yl)propan-2-yloxy]-3-(tert-butylamino)propan-2-ol
CID 150085077
1-[1,3-Bis(3-fluorocarbazol-9-yl)propan-2-yloxy]-3-(cyclopropylamino)propan-2-ol
CID 150367649
1-[(2S)-4-benzyl-2-methylpiperazin-1-yl]-3-[1,3-bis(3-fluorocarbazol-9-yl)propan-2-yloxy]propan-2-ol
CID 151253146
1-(3-Butoxypropylamino)-3-[1-(3,6-difluorocarbazol-9-yl)-3-(3-fluorocarbazol-9-yl)propan-2-yl]oxypropan-2-ol
CID 151402938
1-[1-(3,6-difluorocarbazol-9-yl)-3-(3-fluorocarbazol-9-yl)propan-2-yl]oxy-3-[2-(1H-indol-3-yl)ethylamino]propan-2-ol
CID 151476268

Frequently Asked Questions

What is the IUPAC name of 1,4-bis[1,3-bis(3-fluorocarbazol-9-yl)propan-2-yloxy]-3,6-bis(tert-butylamino)hexane-2,5-diol?
The IUPAC name of 1,4-bis[1,3-bis(3-fluorocarbazol-9-yl)propan-2-yloxy]-3,6-bis(tert-butylamino)hexane-2,5-diol (CID 175032354) is 1,4-bis[1,3-bis(3-fluorocarbazol-9-yl)propan-2-yloxy]-3,6-bis(tert-butylamino)hexane-2,5-diol.
What is the SMILES notation for 1,4-bis[1,3-bis(3-fluorocarbazol-9-yl)propan-2-yloxy]-3,6-bis(tert-butylamino)hexane-2,5-diol?
The canonical SMILES for 1,4-bis[1,3-bis(3-fluorocarbazol-9-yl)propan-2-yloxy]-3,6-bis(tert-butylamino)hexane-2,5-diol is CC(C)(C)NCC(O)C(OC(Cn1c2ccccc2c2cc(F)ccc21)Cn1c2ccccc2c2cc(F)ccc21)C(NC(C)(C)C)C(O)COC(Cn1c2ccccc2c2cc(F)ccc21)Cn1c2ccccc2c2cc(F)ccc21.
What is the InChIKey of 1,4-bis[1,3-bis(3-fluorocarbazol-9-yl)propan-2-yloxy]-3,6-bis(tert-butylamino)hexane-2,5-diol?
The InChIKey is FUGFPGGZQKAYRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H68F4N6O4/c1-67(2,3)73-35-63(79)66(82-46(38-77-57-21-13-9-17-49(57)53-33-43(71)25-29-61(53)77)39-78-58-22-14-10-18-50(58)54-34-44(72)26-30-62(54)78)65(74-68(4,5)6)64(80)40-81-45(36-75-55-19-11-7-15-47(55)51-31-41(69)23-27-59(51)75)37-76-56-20-12-8-16-48(56)52-32-42(70)24-28-60(52)76/h7-34,45-46,63-66,73-74,79-80H,35-40H2,1-6H3.
What are the key properties of 1,4-bis[1,3-bis(3-fluorocarbazol-9-yl)propan-2-yloxy]-3,6-bis(tert-butylamino)hexane-2,5-diol?
1,4-bis[1,3-bis(3-fluorocarbazol-9-yl)propan-2-yloxy]-3,6-bis(tert-butylamino)hexane-2,5-diol has a molecular weight of 1109.32 g/mol, XLogP of 13.78, 19 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis[1,3-bis(3-fluorocarbazol-9-yl)propan-2-yloxy]-3,6-bis(tert-butylamino)hexane-2,5-diol is sourced from PubChem (CID 175032354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).